N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine

C44H29NO — CID 170030394

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4ccc5oc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-8-30(9-3-1)32-16-22-37(23-17-32)45(38-24-18-33(19-25-38)36-15-14-31-10-4-5-11-35(31)28-36)39-26-20-34-21-27-43-44(41(34)29-39)40-12-6-7-13-42(40)46-43/h1-29H
InChIKeyYPJGSIWLTIREGQ-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine (PubChem CID 170030394) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
PubChem CID170030394
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4ccc5oc6ccccc6c5c4c3)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-8-30(9-3-1)32-16-22-37(23-17-32)45(38-24-18-33(19-25-38)36-15-14-31-10-4-5-11-35(31)28-36)39-26-20-34-21-27-43-44(41(34)29-39)40-12-6-7-13-42(40)46-43/h1-29H
InChIKeyYPJGSIWLTIREGQ-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 170130661
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765183
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine (CID 170030394) is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4ccc5oc6ccccc6c5c4c3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
The InChIKey is YPJGSIWLTIREGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-8-30(9-3-1)32-16-22-37(23-17-32)45(38-24-18-33(19-25-38)36-15-14-31-10-4-5-11-35(31)28-36)39-26-20-34-21-27-43-44(41(34)29-39)40-12-6-7-13-42(40)46-43/h1-29H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine is sourced from PubChem (CID 170030394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).